3-(triphenyl-lambda5-phosphanylidene)piperidine-2,6-dione

C23H20NO2P — CID 14161766

IUPAC3-(triphenyl-lambda5-phosphanylidene)piperidine-2,6-dione
SMILESO=C1CCC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)N1
InChIInChI=1S/C23H20NO2P/c25-22-17-16-21(23(26)24-22)27(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2,(H,24,25,26)
InChIKeyLQIQVBSIUIGZRU-UHFFFAOYSA-N
MW373.39 g/mol
LogP2.59
Rot. Bonds3

About 3-(triphenyl-lambda5-phosphanylidene)piperidine-2,6-dione

3-(triphenyl-lambda5-phosphanylidene)piperidine-2,6-dione (PubChem CID 14161766) has the molecular formula C23H20NO2P and a molecular weight of 373.39 g/mol. Its IUPAC name is 3-(triphenyl-lambda5-phosphanylidene)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(triphenyl-lambda5-phosphanylidene)piperidine-2,6-dione
PubChem CID14161766
Molecular FormulaC23H20NO2P
Molecular Weight373.39 g/mol
Exact Mass373.12
IUPAC Name3-(triphenyl-lambda5-phosphanylidene)piperidine-2,6-dione
SMILESO=C1CCC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)N1
InChIInChI=1S/C23H20NO2P/c25-22-17-16-21(23(26)24-22)27(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2,(H,24,25,26)
InChIKeyLQIQVBSIUIGZRU-UHFFFAOYSA-N
XLogP2.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(triphenyl-lambda5-phosphanylidene)piperidine-2,6-dione?
The IUPAC name of 3-(triphenyl-lambda5-phosphanylidene)piperidine-2,6-dione (CID 14161766) is 3-(triphenyl-lambda5-phosphanylidene)piperidine-2,6-dione.
What is the SMILES notation for 3-(triphenyl-lambda5-phosphanylidene)piperidine-2,6-dione?
The canonical SMILES for 3-(triphenyl-lambda5-phosphanylidene)piperidine-2,6-dione is O=C1CCC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)N1.
What is the InChIKey of 3-(triphenyl-lambda5-phosphanylidene)piperidine-2,6-dione?
The InChIKey is LQIQVBSIUIGZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20NO2P/c25-22-17-16-21(23(26)24-22)27(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2,(H,24,25,26).
What are the key properties of 3-(triphenyl-lambda5-phosphanylidene)piperidine-2,6-dione?
3-(triphenyl-lambda5-phosphanylidene)piperidine-2,6-dione has a molecular weight of 373.39 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(triphenyl-lambda5-phosphanylidene)piperidine-2,6-dione is sourced from PubChem (CID 14161766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).